[4-(4-chlorophenyl)sulfonylpiperidin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamate

C18H18ClN5O5S2 — CID 87456582

IUPAC[4-(4-chlorophenyl)sulfonylpiperidin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamate
SMILESCOc1ncnc2sc(NC(=O)ON3CCC(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc12
InChIInChI=1S/C18H18ClN5O5S2/c1-28-15-14-16(21-10-20-15)30-17(22-14)23-18(25)29-24-8-6-13(7-9-24)31(26,27)12-4-2-11(19)3-5-12/h2-5,10,13H,6-9H2,1H3,(H,22,23,25)
InChIKeyDPXNOABCKUWNPN-UHFFFAOYSA-N
MW483.96 g/mol
LogP3.15
Rot. Bonds5

About [4-(4-chlorophenyl)sulfonylpiperidin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamate

[4-(4-chlorophenyl)sulfonylpiperidin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamate (PubChem CID 87456582) has the molecular formula C18H18ClN5O5S2 and a molecular weight of 483.96 g/mol. Its IUPAC name is [4-(4-chlorophenyl)sulfonylpiperidin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamate.

Molecular Properties

Compound Name[4-(4-chlorophenyl)sulfonylpiperidin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamate
PubChem CID87456582
Molecular FormulaC18H18ClN5O5S2
Molecular Weight483.96 g/mol
Exact Mass483.04
IUPAC Name[4-(4-chlorophenyl)sulfonylpiperidin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamate
SMILESCOc1ncnc2sc(NC(=O)ON3CCC(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc12
InChIInChI=1S/C18H18ClN5O5S2/c1-28-15-14-16(21-10-20-15)30-17(22-14)23-18(25)29-24-8-6-13(7-9-24)31(26,27)12-4-2-11(19)3-5-12/h2-5,10,13H,6-9H2,1H3,(H,22,23,25)
InChIKeyDPXNOABCKUWNPN-UHFFFAOYSA-N
XLogP3.15
TPSA123.61 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.96
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamate
CID 87456478
[4-[4-fluoro-3-(trifluoromethyl)benzoyl]piperazin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamate
CID 87456650
[4-[(2-hydroxy-3-methylphenyl)methyl]piperazin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamate
CID 87456999
[3-[2-[3-(trifluoromethyl)phenoxy]ethylamino]pyrrolidin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamate
CID 87456467
(3S)-3-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-1-carboxamide
CID 59011965
(3R)-1-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 59011929
4-(3-chlorophenyl)-4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-oxopiperidine-1-carboxamide
CID 157321106
[5-chloro-2-[[2-(4-chlorophenoxy)-2-(4-cyclopropylsulfonylphenyl)acetyl]amino]-1,3-thiazol-4-yl] acetate
CID 25261194
4-(4-chlorophenyl)sulfonylpiperidine-1-carbonyl chloride
CID 87288005
[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-ethoxy-2-pyridinyl)methanone
CID 67168485
(4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone
CID 67168197
2-[[2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)acetyl]amino]-[1,3]thiazolo[5,4-b]pyridine-6,7-dicarboxylic acid
CID 88861778

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)sulfonylpiperidin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamate?
The IUPAC name of [4-(4-chlorophenyl)sulfonylpiperidin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamate (CID 87456582) is [4-(4-chlorophenyl)sulfonylpiperidin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamate.
What is the SMILES notation for [4-(4-chlorophenyl)sulfonylpiperidin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamate?
The canonical SMILES for [4-(4-chlorophenyl)sulfonylpiperidin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamate is COc1ncnc2sc(NC(=O)ON3CCC(S(=O)(=O)c4ccc(Cl)cc4)CC3)nc12.
What is the InChIKey of [4-(4-chlorophenyl)sulfonylpiperidin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamate?
The InChIKey is DPXNOABCKUWNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O5S2/c1-28-15-14-16(21-10-20-15)30-17(22-14)23-18(25)29-24-8-6-13(7-9-24)31(26,27)12-4-2-11(19)3-5-12/h2-5,10,13H,6-9H2,1H3,(H,22,23,25).
What are the key properties of [4-(4-chlorophenyl)sulfonylpiperidin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamate?
[4-(4-chlorophenyl)sulfonylpiperidin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamate has a molecular weight of 483.96 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)sulfonylpiperidin-1-yl] N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)carbamate is sourced from PubChem (CID 87456582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).